Ran, Y.; He, Y.; Yang, G.; Johnson, J. L. H.; Yalkowsky, S. H. Estimation of aqueous solubility of organic compounds by using the general solubility equation. Chemosphere 2002, 48, 487–509.
Compound
| ID: | 982 | |
|---|---|---|
| Name: | 1,1,1-Trifluoro-2-propanol | |
| Description: | ||
| Labels: | ||
| CAS: | 374-01-6 | |
| InChi Code: | InChI=1S/C3H5F3O/c1-2(7)3(4,5)6/h2,7H,1H3 |
Properties
MlogP: Measured octanol/water partition coefficient as logP
| Value | Source or prediction |
|---|---|
| 0.71 |
experimental value |
logSobs: Aqueous solubility as logS [mol/L]
| Value | Source or prediction |
|---|---|
| 0.3 |
experimental value |
| -0.33 |
Eq.1: General solubility equation (Test set to verify GSE) |